Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.98 Å / Relative weight: 1
Reflection
Resolution: 1.1→50 Å / Num. obs: 160510 / % possible obs: 79.6 % / Redundancy: 3.9 % / Net I/σ(I): 17
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0107
refinement
HKL-2000
datareduction
HKL-2000
datascaling
Refinement
Resolution: 1.1→17.87 Å / Cor.coef. Fo:Fc: 0.967 / Cor.coef. Fo:Fc free: 0.941 / SU B: 1.505 / SU ML: 0.03 / Cross valid method: THROUGHOUT / ESU R: 0.043 / ESU R Free: 0.049 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.22207
8117
5.1 %
RANDOM
Rwork
0.1641
-
-
-
obs
0.16705
152237
79.46 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å